Mrv1652304292202172D 85 95 0 0 1 0 999 V2000 2.7320 -0.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3617 0.3166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8150 1.0059 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6386 0.9580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0089 0.2207 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5556 -0.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8245 0.3451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9582 1.1592 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2253 1.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7738 1.2835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1441 0.5463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5574 -0.0337 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6817 -0.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6670 1.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4811 1.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7723 0.2787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2494 -0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4353 -0.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5863 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -0.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4447 1.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6211 1.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1678 1.1018 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5381 0.3646 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0848 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2611 -0.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1091 0.4604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3442 1.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9327 0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3861 -0.1809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0158 -0.9181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4691 -1.6074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2927 -1.5595 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6630 -0.8223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2097 -0.1330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5800 0.6043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4866 -0.7743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 -2.2488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5696 -2.2008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0230 -2.8901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8466 -2.8422 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2168 -2.1050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7635 -1.4157 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9399 -1.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1338 -0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9574 -0.6305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0405 -2.0570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2999 -3.5315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1235 -3.4835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4938 -2.7463 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.3174 -2.6984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7707 -3.3877 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.4004 -4.1249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5768 -4.1728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8537 -4.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4835 -5.5514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5943 -3.3397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6877 -1.9611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5322 -1.9222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6527 -3.6274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1060 -4.3167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9296 -4.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3829 -4.9580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0126 -5.6953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1890 -5.7432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7357 -5.0539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9121 -5.1018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8187 -6.4804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2721 -7.1697 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0957 -7.1218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5490 -7.8111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1787 -8.5483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3551 -8.5962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9018 -7.9070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0782 -7.9549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9848 -9.3335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6320 -9.2376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3726 -7.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8259 -8.4524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4660 -6.3845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2065 -4.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6598 -5.5994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0988 -2.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2752 -2.3926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9084 -0.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 7 5 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 4 9 1 6 0 0 0 8 10 1 6 0 0 0 11 10 1 6 0 0 0 11 12 1 0 0 0 0 7 12 1 0 0 0 0 12 13 1 1 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 11 18 1 0 0 0 0 16 19 1 6 0 0 0 5 20 1 6 0 0 0 3 21 1 1 0 0 0 21 22 1 0 0 0 0 23 22 1 6 0 0 0 23 24 1 0 0 0 0 2 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 23 28 1 0 0 0 0 27 29 1 6 0 0 0 30 29 1 6 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 30 35 1 0 0 0 0 35 36 1 1 0 0 0 34 37 1 6 0 0 0 33 38 1 1 0 0 0 39 38 1 1 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 39 44 1 0 0 0 0 43 45 1 1 0 0 0 45 46 1 0 0 0 0 42 47 1 6 0 0 0 41 48 1 1 0 0 0 49 48 1 6 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 49 54 1 0 0 0 0 53 55 1 6 0 0 0 55 56 1 0 0 0 0 52 57 1 6 0 0 0 51 58 1 6 0 0 0 50 59 1 1 0 0 0 40 60 1 6 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 61 66 1 0 0 0 0 66 67 1 6 0 0 0 65 68 1 1 0 0 0 69 68 1 1 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 6 0 0 0 73 76 1 1 0 0 0 72 77 1 1 0 0 0 71 78 1 1 0 0 0 78 79 1 0 0 0 0 64 80 1 6 0 0 0 63 81 1 1 0 0 0 81 82 1 0 0 0 0 32 83 1 6 0 0 0 83 84 1 0 0 0 0 24 85 1 6 0 0 0 M END > NP0079254 > NP-MRD > C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@H](O)[C@H]2O)O[C@]11CC[C@@H](C)CO1 > InChI=1S/C57H94O28/c1-21-7-12-57(74-20-21)22(2)34-28(85-57)14-27-25-6-5-23-13-24(8-10-55(23,3)26(25)9-11-56(27,34)4)75-50-44(72)41(69)46(33(19-62)80-50)81-54-49(48(38(66)32(18-61)79-54)83-52-43(71)40(68)36(64)30(16-59)77-52)84-53-45(73)47(37(65)31(17-60)78-53)82-51-42(70)39(67)35(63)29(15-58)76-51/h21-54,58-73H,5-20H2,1-4H3/t21-,22+,23+,24+,25-,26+,27+,28+,29-,30-,31-,32-,33-,34+,35+,36+,37-,38-,39+,40+,41-,42-,43-,44-,45-,46-,47+,48+,49-,50-,51+,52+,53+,54+,55+,56+,57-/m1/s1 > YDSTYXYWSNXCIJ-ZKHKTUKESA-N > C57H94O28 > 1227.351 > 1226.593162387 > 28 > 179 > 128.5558455930016 > 0 > 16 > 0 > 0 > (2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5R,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1'R,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'S,16'S,18'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane]oxy]oxan-3-yl]oxy}-3-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > -0.62 > -3.5212932929999994 > -2.38 > 1 > 11 > 0 > 12.086076357047263 > 11.675311403257739 > -3.655542498539978 > 434.4400000000001 > 281.4824 > 15 > 0 > 5.15e+00 g/l > (2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5R,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1'R,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'S,16'S,18'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane]oxy]oxan-3-yl]oxy}-3-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > NP0079254 > (-)-Polianthoside C $$$$